3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

C12H17N3O2S — CID 64973286

IUPAC3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(C(C)c2nc(C)cs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-4-9-12(17)15(5-10(16)14-9)8(3)11-13-7(2)6-18-11/h6,8-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyBXEQJLPIQAPOIP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds3

About 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64973286) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64973286
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(C(C)c2nc(C)cs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-4-9-12(17)15(5-10(16)14-9)8(3)11-13-7(2)6-18-11/h6,8-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyBXEQJLPIQAPOIP-UHFFFAOYSA-N
XLogP1.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973273
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64973284
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929583
3-ethyl-1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64963137
3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973178
3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973260
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973322
3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965819
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966389

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64973286) is 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CCC1NC(=O)CN(C(C)c2nc(C)cs2)C1=O.
What is the InChIKey of 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is BXEQJLPIQAPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-9-12(17)15(5-10(16)14-9)8(3)11-13-7(2)6-18-11/h6,8-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64973286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).